3-[(2S,3R,4S)-4-butyl-3-propylpiperidin-2-yl]propan-1-ol

C15H31NO — CID 62705800

IUPAC3-[(2S,3R,4S)-4-butyl-3-propylpiperidin-2-yl]propan-1-ol
SMILESCCCC[C@H]1CCN[C@@H](CCCO)[C@@H]1CCC
InChIInChI=1S/C15H31NO/c1-3-5-8-13-10-11-16-15(9-6-12-17)14(13)7-4-2/h13-17H,3-12H2,1-2H3/t13-,14+,15-/m0/s1
InChIKeyDBICQNXWDSCTPF-ZNMIVQPWSA-N
MW241.42 g/mol
LogP3.34
Rot. Bonds8

About 3-[(2S,3R,4S)-4-butyl-3-propylpiperidin-2-yl]propan-1-ol

3-[(2S,3R,4S)-4-butyl-3-propylpiperidin-2-yl]propan-1-ol (PubChem CID 62705800) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-[(2S,3R,4S)-4-butyl-3-propylpiperidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S,3R,4S)-4-butyl-3-propylpiperidin-2-yl]propan-1-ol
PubChem CID62705800
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-[(2S,3R,4S)-4-butyl-3-propylpiperidin-2-yl]propan-1-ol
SMILESCCCC[C@H]1CCN[C@@H](CCCO)[C@@H]1CCC
InChIInChI=1S/C15H31NO/c1-3-5-8-13-10-11-16-15(9-6-12-17)14(13)7-4-2/h13-17H,3-12H2,1-2H3/t13-,14+,15-/m0/s1
InChIKeyDBICQNXWDSCTPF-ZNMIVQPWSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2S,3R,4S)-4-butyl-3-propylpiperidin-2-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methylpiperidin-2-yl)propan-1-ol
CID 78065811
(2S,3S)-2-butylpiperidin-3-ol
CID 102039830
3-(3-methylpiperidin-2-yl)propan-1-ol;hydrochloride
CID 90668992
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
[(2R,3R)-2-ethylpyrrolidin-3-yl]methanol
CID 124705557
2-(3-methylpyrrolidin-2-yl)ethanol
CID 55286766
6-butyl-7-propylazepan-2-ol
CID 71040403
2-(3-hydroxypropyl)piperidin-3-ol
CID 67216192
2-(4-butylcyclohexyl)ethanol
CID 15085164
7-(2-amino-5-hexylcyclopentyl)heptan-1-ol
CID 23220320
butan-1-ol;2-butyl-N-methylcyclobutan-1-amine
CID 71071171
3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane
CID 123913316

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R,4S)-4-butyl-3-propylpiperidin-2-yl]propan-1-ol?
The IUPAC name of 3-[(2S,3R,4S)-4-butyl-3-propylpiperidin-2-yl]propan-1-ol (CID 62705800) is 3-[(2S,3R,4S)-4-butyl-3-propylpiperidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S,3R,4S)-4-butyl-3-propylpiperidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2S,3R,4S)-4-butyl-3-propylpiperidin-2-yl]propan-1-ol is CCCC[C@H]1CCN[C@@H](CCCO)[C@@H]1CCC.
What is the InChIKey of 3-[(2S,3R,4S)-4-butyl-3-propylpiperidin-2-yl]propan-1-ol?
The InChIKey is DBICQNXWDSCTPF-ZNMIVQPWSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-5-8-13-10-11-16-15(9-6-12-17)14(13)7-4-2/h13-17H,3-12H2,1-2H3/t13-,14+,15-/m0/s1.
What are the key properties of 3-[(2S,3R,4S)-4-butyl-3-propylpiperidin-2-yl]propan-1-ol?
3-[(2S,3R,4S)-4-butyl-3-propylpiperidin-2-yl]propan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R,4S)-4-butyl-3-propylpiperidin-2-yl]propan-1-ol is sourced from PubChem (CID 62705800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).